@<TRIPOS>MOLECULE
BindingDB_18777
 51 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        30.0853    1.1950   14.5473  C     
2    C        29.9452    1.4611   13.1538  C     
3    C        28.9320    2.3150   12.6868  C     
4    C        27.9804    2.8097   13.6154  C     
5    C        28.1027    2.5225   15.0061  C     
6    C        29.1556    1.7153   15.4591  C     
7    C        28.8373    2.6435   11.2833  C     
8    C        27.8093    2.0259   10.5346  C     
9    C        28.5771    3.0382    8.5305  C     
10   C        29.7319    3.5334   10.5885  C     
11   N        26.9364    1.1270   11.0413  N     
12   N        28.5322    3.1130    7.1883  N     
13   N        27.6999    2.2641    9.2026  N     
14   N        29.5601    3.6521    9.2274  N     
15   Cl       29.3890    1.4101   17.1070  Cl    
16   C        30.9400    4.1652   11.1373  C     
17   C        30.9008    5.7294   11.4946  C     
18   C        31.9420    6.1811   12.5530  C     
19   C        31.4671    6.4720   14.0443  C     
20   C        30.0013    6.8666   14.3020  C     
21   C        29.0078    5.7718   14.8389  C     
22   C        28.2184    6.0620   16.1271  C     
23   C        29.0668    6.0622   17.4266  C     
24   C        29.5187    7.4688   17.9002  C     
25   H        30.8913    0.6522   14.8611  H     
26   H        30.6056    1.0322   12.5058  H     
27   H        27.1768    3.3760   13.3072  H     
28   H        27.4307    2.9187   15.6751  H     
29   H        26.3319    0.6782   10.4436  H     
30   H        26.9798    0.8510   11.9625  H     
31   H        29.2109    3.6160    6.7152  H     
32   H        27.9637    2.4929    6.6877  H     
33   H        31.2439    3.6710   12.0343  H     
34   H        31.7829    4.0220   10.4388  H     
35   H        31.1638    6.2297   10.5365  H     
36   H        29.9286    6.1642   11.6614  H     
37   H        32.7847    5.4792   12.5789  H     
38   H        32.4061    7.1033   12.1833  H     
39   H        31.6382    5.5665   14.6457  H     
40   H        32.1276    7.2612   14.3999  H     
41   H        30.0367    7.6707   15.0512  H     
42   H        29.5573    7.3538   13.4618  H     
43   H        28.2875    5.6260   14.0324  H     
44   H        29.5921    4.8495   14.9366  H     
45   H        27.6610    6.9905   16.0275  H     
46   H        27.4881    5.2682   16.2075  H     
47   H        28.4625    5.6279   18.2209  H     
48   H        29.9525    5.4258   17.2900  H     
49   H        30.1285    7.9901   17.1618  H     
50   H        30.1070    7.3752   18.8167  H     
51   H        28.6493    8.0904   18.1229  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6   15 1
     9    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   16 1
    18   16   17 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22   20   21 1
    23   21   22 1
    24   22   23 1
    25   23   24 1
    26    1   25 1
    27    2   26 1
    28    4   27 1
    29    5   28 1
    30   11   29 1
    31   11   30 1
    32   12   31 1
    33   12   32 1
    34   16   33 1
    35   16   34 1
    36   17   35 1
    37   17   36 1
    38   18   37 1
    39   18   38 1
    40   19   39 1
    41   19   40 1
    42   20   41 1
    43   20   42 1
    44   21   43 1
    45   21   44 1
    46   22   45 1
    47   22   46 1
    48   23   47 1
    49   23   48 1
    50   24   49 1
    51   24   50 1
    52   24   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0329
  Crash		| -2.5941
  Polar		| 1.6706
  FragIndex	| 1
  FragRMSD	| 0.445